4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide

C10H16N4OS — CID 103062218

IUPAC4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCSC1
InChIInChI=1S/C10H16N4OS/c1-2-14-9(8(11)5-12-14)10(15)13-7-3-4-16-6-7/h5,7H,2-4,6,11H2,1H3,(H,13,15)
InChIKeyNFCHHRDDSCWYNK-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.72
Rot. Bonds3

About 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide (PubChem CID 103062218) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide
PubChem CID103062218
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCSC1
InChIInChI=1S/C10H16N4OS/c1-2-14-9(8(11)5-12-14)10(15)13-7-3-4-16-6-7/h5,7H,2-4,6,11H2,1H3,(H,13,15)
InChIKeyNFCHHRDDSCWYNK-UHFFFAOYSA-N
XLogP0.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
CID 65357083
4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106358691
4-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-5-carboxamide
CID 65358909
(4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone
CID 65359256
4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide
CID 65358956
4-amino-N-(1-cyclohexylpropyl)-1-ethylpyrazole-5-carboxamide
CID 65358575
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65358960
4-amino-1-ethyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 65358906
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
4-amino-1-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-5-carboxamide
CID 65359155
4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 114107119

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide (CID 103062218) is 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC1CCSC1.
What is the InChIKey of 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide?
The InChIKey is NFCHHRDDSCWYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-14-9(8(11)5-12-14)10(15)13-7-3-4-16-6-7/h5,7H,2-4,6,11H2,1H3,(H,13,15).
What are the key properties of 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 103062218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).